2-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]-1,4-diazepan-1-yl]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC(=O)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H27N5OS/c1-29-22-19(14-23)8-9-20(25-22)16-26-10-5-11-27(13-12-26)17-21(28)24-15-18-6-3-2-4-7-18/h2-4,6-9H,5,10-13,15-17H2,1H3,(H,24,28)